5-azanyl-4-pyrazol-1-yl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-pyrazol-1-yl-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-3-one Openeye Name: 5-amino-4-pyrazol-1-yl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one CAS Name: 5-amino-4-(1-pyrazolyl)-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one IUPAC Name: 5-amino-4-pyrazol-1-yl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one Traditional Name: 5-amino-4-pyrazol-1-yl-2-(2,4,6-trichlorophenyl)-3-pyrazolin-3-one Formula: C12H8Cl3N5O MolecularWeight: 344.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)N

Isomeric SMILES

C1=CN(N=C1)C2=C(NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)N

InChI

InChI=1S/C12H8Cl3N5O/c13-6-4-7(14)9(8(15)5-6)20-12(21)10(11(16)18-20)19-3-1-2-17-19/h1-5,18H,16H2